InteractionDrawer is a JavaScript library for the fully automatic drawing of highly interactive 2D ligand interaction diagrams. Calculated interactions (hydrogen bonds, cation-pi interactions, pi-stackings, ionic interactions, and metal interactions) of the ligand with nucleic acids, amino acids, and metals are depicted as colored dashed lines. Hydrophobic contacts are visualized by labeled green splines. A web application based on this library can be found at https://proteins.plus/ (PoseEdit).
Please cite the following publication if you use the tool PoseEdit or the InteractionDrawer library:
Diedrich, K., Krause, B., Berg, O. et al. PoseEdit: enhanced ligand binding mode communication by interactive 2D diagrams. J Comput Aided Mol Des (2023). https://doi.org/10.1007/s10822-023-00522-4
Information on how to work with the InteractionDrawer can be found in the help directory.
The files presented there are as follows:
- Setup.md: How to use the InteractionDrawer
- Options.md: How to configure the InteractionDrawer (styling, key bindings, etc.)
- JSON.md: How to provide the main input for the InteractionDrawer (format of JSON input)